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   Articles with "pdb" as a keyword



PDB_Amyloid: an extended live amyloid structure list from the PDB

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recommendations! Published in 2019 at "FEBS Open Bio"

DOI: 10.1002/2211-5463.12524

Abstract: The Protein Data Bank (PDB) contains more than 135 000 entries at present. From these, relatively few amyloid structures can be identified, since amyloids are insoluble in water. Therefore, most amyloid structures deposited in the… read more here.

Keywords: amyloid; pdb amyloid; amyloid structures; pdb ... See more keywords
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In vitro inhibitory effects of some acetophenone derivatives on some metabolic enzymes and molecular docking

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recommendations! Published in 2020 at "Archiv der Pharmazie"

DOI: 10.1002/ardp.202000210

Abstract: In this study, the acetophenone derivatives 1–6 were found to be effective inhibitor molecules for α‐glycosidase, human carbonic anhydrases I and II (hCA I/II), and acetylcholinesterase (AChE), with Ki values in the range of 167.98 ± 25.06… read more here.

Keywords: inhibitory effects; vitro inhibitory; acetophenone derivatives; pdb ... See more keywords

Se⋅⋅⋅O/S and S⋅⋅⋅O Chalcogen Bonds in Small Molecules and Proteins: A Combined CSD and PDB Study

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recommendations! Published in 2021 at "ChemBioChem"

DOI: 10.1002/cbic.202100498

Abstract: The importance of selenium‐centered noncovalent chalcogen bonds represented as Se⋅⋅⋅A (A=O/S) has been explored for short directional contacts in small molecules and proteins. In addition, S⋅⋅⋅O centered contacts have been analyzed. Computational analyses involving the… read more here.

Keywords: pdb; molecules proteins; chalcogen bonds; small molecules ... See more keywords

Mutations in Profilin 1 Cause Early‐Onset Paget's Disease of Bone With Giant Cell Tumors

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recommendations! Published in 2021 at "Journal of Bone and Mineral Research"

DOI: 10.1002/jbmr.4275

Abstract: Paget's disease of bone (PDB) is a late‐onset chronic progressive bone disease characterized by abnormal activation of osteoclasts that results in bone pain, deformities, and fractures. PDB is very rare in Asia. A subset of… read more here.

Keywords: bone; pdb; early onset; pdb gct ... See more keywords
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PDBrestore: A Free Web Interface for Processing and Fixing Protein Chains From Raw PDB Files

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recommendations! Published in 2025 at "Journal of Computational Chemistry"

DOI: 10.1002/jcc.70124

Abstract: We present PDBrestore, a free web interface for repairing protein PDB chains extracted from either a local PDB file or a PDB file downloaded from the Protein Data Bank. PDBrestore performs several key tasks: It… read more here.

Keywords: free web; web interface; protein; pdbrestore free ... See more keywords

Phytoconstituents of Citrus limon (Lemon) as Potential Inhibitors Against Multi Targets of SARS‐CoV‐2 by Use of Molecular Modelling and In Vitro Determination Approaches

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recommendations! Published in 2024 at "ChemistryOpen"

DOI: 10.1002/open.202300198

Abstract: Abstract In the present work, phytoconstituents from Citrus limon are computationally tested against SARS‐CoV‐2 target protein such as Mpro ‐ (5R82.pdb), Spike ‐ (6YZ5.pdb) &RdRp ‐ (7BTF.pdb) for COVID‐19. Docking was done by glide model,… read more here.

Keywords: sars cov; lemon potential; limon lemon; phytoconstituents citrus ... See more keywords
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A Mechanism for the Activation of the Influenza Virus Transcriptase

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recommendations! Published in 2018 at "Molecular Cell"

DOI: 10.1016/j.molcel.2018.10.005

Abstract: (Molecular Cell 70, 1101–1110.e1–e4; June 21, 2018) In the originally published article, one of the PDB ID numbers shown in the Key Resources Table and in the STAR Methods under Data and Software Availability was… read more here.

Keywords: mechanism activation; virus transcriptase; pdb; activation influenza ... See more keywords

Comparison of Molecular Recognition in Docking Versus Experimental CSD and PDB Data

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recommendations! Published in 2025 at "Journal of chemical information and modeling"

DOI: 10.1021/acs.jcim.5c00893

Abstract: Molecular docking is a widely used technique in structure-based drug design for generating poses of small molecules in a protein receptor structure. These poses are then ranked to prioritize compounds for experimental validation. Numerous approaches… read more here.

Keywords: molecular recognition; csd; recognition docking; docking versus ... See more keywords

Molecular insights into an ancient form of Paget’s disease of bone

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recommendations! Published in 2019 at "Proceedings of the National Academy of Sciences of the United States of America"

DOI: 10.1073/pnas.1820556116

Abstract: Significance We identify an ancient and atypical form of Paget’s disease of bone (PDB) in a collection of medieval skeletons exhibiting unusually extensive pathological changes, high disease prevalence, and low age-at-death estimations. Proteomic analysis of… read more here.

Keywords: disease bone; form paget; disease; pdb ... See more keywords

RCSB Protein Data Bank: biological macromolecular structures enabling research and education in fundamental biology, biomedicine, biotechnology and energy

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recommendations! Published in 2019 at "Nucleic Acids Research"

DOI: 10.1093/nar/gky1004

Abstract: Abstract The Research Collaboratory for Structural Bioinformatics Protein Data Bank (RCSB PDB, rcsb.org), the US data center for the global PDB archive, serves thousands of Data Depositors in the Americas and Oceania and makes 3D… read more here.

Keywords: data bank; research; pdb; rcsb ... See more keywords

Epidemiology and characteristics of Paget's disease of bone in a French nationwide HIV cohort

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recommendations! Published in 2024 at "AIDS"

DOI: 10.1097/qad.0000000000003874

Abstract: Paget's disease of bone (PDB) has rarely been reported in people with HIV (PWH). We describe the prevalence and characteristics of patients with PDB in the French multicenter Dat’AIDS cohort. Among 49 698 PWH actively… read more here.

Keywords: epidemiology; cohort; paget disease; disease bone ... See more keywords